SCHEMBL8610107

SCHEMBL8610107

O=C(O)c1cn2c(C(O)C(=O)O)cccc2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
GAA P10253 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
GNE Q9Y223 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8886602 0.81 PTGS1 (0.44) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL8608858 0.80 PTGS1 (0.43) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL119204 0.79 PTGS1 (0.51) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL8607287 0.78 LMNA (0.33) PTGS1PTGS2GAALMNAMAPK1
SCHEMBL9753622 0.77 PTGS1 (0.53) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL3035988 0.76 PTGS1 (0.51) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL119926 0.76 GAA (0.66) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL3306389 0.76 PTGS1 (0.51) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL9753401 0.76 PTGS1 (0.40) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL8604751 0.75 PTGS1 (0.38) PTGS1PTGS2GAAKDM4EALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed